(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone

C20H22N4O2 — CID 110643374

IUPAC(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(c3ccc4nc(C)[nH]c4c3)CC2)c1
InChIInChI=1S/C20H22N4O2/c1-14-21-18-7-6-16(13-19(18)22-14)23-8-10-24(11-9-23)20(25)15-4-3-5-17(12-15)26-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)
InChIKeyIUBRMARABSPQEC-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.84
Rot. Bonds3

About (3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone

(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone (PubChem CID 110643374) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
PubChem CID110643374
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(c3ccc4nc(C)[nH]c4c3)CC2)c1
InChIInChI=1S/C20H22N4O2/c1-14-21-18-7-6-16(13-19(18)22-14)23-8-10-24(11-9-23)20(25)15-4-3-5-17(12-15)26-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)
InChIKeyIUBRMARABSPQEC-UHFFFAOYSA-N
XLogP2.84
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643369
3-[4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carbonyl]benzonitrile
CID 110643372
(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643379
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110692487
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
propan-2-yl 4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 143658550
3-methoxybenzoic acid;(3-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 17368444
(2-methyl-3H-benzimidazol-5-yl)-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802143

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone (CID 110643374) is (3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(c3ccc4nc(C)[nH]c4c3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is IUBRMARABSPQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-21-18-7-6-16(13-19(18)22-14)23-8-10-24(11-9-23)20(25)15-4-3-5-17(12-15)26-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,22).
What are the key properties of (3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110643374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).